1-[2-(tert-butylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(tert-butylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-[2-(tert-butylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0134-0062 |
| Compound Name: | 1-[2-(tert-butylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 271.74 |
| Molecular Formula: | C12 H18 N3 O2 |
| Salt: | Cl- |
| Smiles: | CC(C)(C)NC(C[n+]1cccc(/C=N/O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6413 |
| logD: | 1.6401 |
| logSw: | -1.9992 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.506 |
| InChI Key: | GPZJVJJUBGTEGK-NTUHNPAUSA-O |